N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide

C11H16F3NO — CID 78858720

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyMSBCMSNNVOKINK-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.75
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide

N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 78858720) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
PubChem CID78858720
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyMSBCMSNNVOKINK-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide (CID 78858720) is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1CC=CCC1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is MSBCMSNNVOKINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide?
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 78858720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).